Information card for entry 1514206

Structure parameters

• Formula: C30 H23 N O2 S
• Calculated formula: C30 H23 N O2 S
• SMILES: Cc1ccc(cc1)c1c2ccccc2cc2c1c1ccccc1n2S(=O)(=O)c1ccc(cc1)C
• Title of publication: Fe-Catalyzed Novel Domino Isomerization/Cyclodehydration of Substituted 2-[(Indoline-3-ylidene)(methyl)]benzaldehyde Derivatives: An Efficient Approach toward Benzo[b]carbazole Derivatives.
• Authors of publication: Paul, Kartick; Bera, Krishnendu; Jalal, Swapnadeep; Sarkar, Soumen; Jana, Umasish
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 2166 - 2169
• a: 18.5052 ± 0.0017 Å
• b: 10.5619 ± 0.001 Å
• c: 24.279 ± 0.002 Å
• α: 90°
• β: 104.446 ± 0.003°
• γ: 90°
• Cell volume: 4595.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No